4CP9

Crystal structure OF lecA lectin complexed with a divalent galactoside at 1.65 angstrom

4CP9 の概要

• エントリーDOI: 10.2210/pdb4cp9/pdb
• 関連するPDBエントリー: 4CPB
• 分子名称: PA-I GALACTOPHILIC LECTIN, CALCIUM ION, beta-D-galactopyranose, ... (9 entities in total)
• 機能のキーワード: sugar binding protein, galactose binding, sugar based inhibitor
• 由来する生物種: PSEUDOMONAS AERUGINOSA; 詳細
• 細胞内の位置: Cytoplasm: Q05097 Q05097
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 55393.27

構造登録者

Topin, J.,Varrot, A.,Imberty, A.,Wissinger, N. (登録日: 2014-02-04, 公開日: 2014-10-08, 最終更新日: 2023-12-20)

主引用文献

Novoa, A.,Eierhoff, T.,Topin, J.,Varrot, A.,Barluenga, S.,Imberty, A.,Romer, W.,Winssinger, N.
A Leca Ligand Identified from a Galactoside-Conjugate Array Inhibits Host Cell Invasion by Pseudomonas Aeruginosa.
Angew.Chem.Int.Ed.Engl., 53:8885-, 2014

PubMed Abstract: Lectin LecA is a virulence factor of Pseudomonas aeruginosa involved in lung injury, mortality, and cellular invasion. Ligands competing with human glycoconjugates for LecA binding are thus promising candidates to counteract P. aeruginosa infections. We have identified a novel divalent ligand from a focused galactoside(Gal)-conjugate array which binds to LecA with very high affinity (Kd = 82 nM). Crystal structures of LecA complexed with the ligand together with modeling studies confirmed its ability to chelate two binding sites of LecA. The ligand lowers cellular invasiveness of P. aeruginosa up to 90 % when applied in the range of 0.05-5 μM. Hence, this ligand might lead to the development of drugs against P. aeruginosa infection.

PubMed: 25044671
DOI: 10.1002/ANIE.201402831

実験手法

X-RAY DIFFRACTION (1.65 Å)